Sugi Predict

Sugi Predict / Compounds / SCHEMBL2015516

SCHEMBL2015516

SCHEMBL2015516

CC(=O)c1cc(F)c(C#C[Si](C)(C)C)c(N)c1-c1cccc(F)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.36
▸ MAP4K4 O95819 3/20 0.34
▸ DHODH Q02127 2/20 0.34
▸ NQO2 P16083 1/20 0.34
▸ ADORA1 P30542 2/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ SLC9A1 P19634 1/20 0.33
▸ MAOB P27338 1/20 0.33
▸ HPGDS O60760 1/20 0.33
▸ KMO O15229 1/20 0.33
▸ CHEK2 O96017 1/20 0.32
▸ ADORA2A P29274 1/20 0.32
▸ ADORA2B P29275 1/20 0.32
▸ NR4A1 P22736 1/20 0.32
▸ NR4A2 P43354 1/20 0.32
▸ NR4A3 Q92570 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2013162 0.83 FBP1 (0.36) TRPM8DHODHMAOBKMONR4A1
SCHEMBL2164040 0.79 TRPM8 (0.31) TRPM8MAOB
SCHEMBL2164035 0.79 TRPM8 (0.31) TRPM8MAOB
SCHEMBL2015518 0.78 ADORA1 (0.32) ADORA1PTPN11ADORA2AADORA2BTAAR1
SCHEMBL2015127 0.78 CSNK1D (0.35) MAP4K4NQO2ADORA1ALDH1A1MAPT
SCHEMBL2013729 0.71 TRPM8 (0.38) TRPM8MAP4K4DHODHNQO2ADORA1
SCHEMBL12471039 0.68 TRPM8 (0.38) TRPM8DHODHNQO2SLC9A1MAOB
SCHEMBL10278949 0.68 DPP4 (0.39) TRPM8MAP4K4NQO2PTPN11MAOB
SCHEMBL3907815 0.68 TRPM8 (0.43) TRPM8DHODHNQO2MAOBHPGDS
SCHEMBL12631313 0.68 TRPM8 (0.35) TRPM8MAP4K4NQO2ADORA1PTPN11

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-8680108-B2 Substituted fused aryl and heteroaryl derivatives as PI3K inhibitors INCYTE CORPORATION (US) 2014-03-25 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION 2011-07-28 — — US disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO disclosed
WO-2011075630-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS INCYTE CORPORATION (US) 2011-06-23 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110183985-A1 SUBSTITUTED FUSED ARYL AND HETEROARYL DERIVATIVES AS PI3K INHIBITORS PIK3R1, PIK3R3, PIK3R2 TRPM8 4741/4885MAP4K4 914/4885DHODH 4416/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.